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DocumentationIdentifier: MM293443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293443 |
| SMILES |
CC(CC=O)C(=O)CC#N
|
| InChIKey |
PSVYVFBKXKOIHB-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173064
Similarity: 0.7684
Similarity to MM173064
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.869 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262805
Similarity: 0.7429
Similarity to MM262805
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8531 |
| Dice metric | 0.8525 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172504
Similarity: 0.7158
Similarity to MM172504
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8344 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
